6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C16H17F3N4O — CID 721077

IUPAC6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17F3N4O/c1-11-9-14(22-15(20-11)23-5-7-24-8-6-23)21-13-4-2-3-12(10-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H,20,21,22)
InChIKeyOXDUHTORVSFKFN-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.38
Rot. Bonds3

About 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 721077) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID721077
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17F3N4O/c1-11-9-14(22-15(20-11)23-5-7-24-8-6-23)21-13-4-2-3-12(10-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H,20,21,22)
InChIKeyOXDUHTORVSFKFN-UHFFFAOYSA-N
XLogP3.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 721077) is 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is OXDUHTORVSFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-11-9-14(22-15(20-11)23-5-7-24-8-6-23)21-13-4-2-3-12(10-13)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H,20,21,22).
What are the key properties of 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 338.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 721077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).